LMPR01071001 LIPID_MAPS_STRUCTURE_DATABASE 42 44 0 0 0 999 V2000 3.2393 -13.1534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2393 -14.1641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0985 -14.6696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9577 -14.1641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9577 -13.1534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0985 -12.6479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5931 -11.7888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6040 -11.7888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8675 -14.6696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8225 -12.6541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6873 -13.1534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5521 -12.6541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4169 -13.1534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2818 -12.6541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1466 -13.1534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0113 -12.6541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8762 -13.1534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7410 -12.6541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6057 -13.1534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4706 -12.6541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3354 -13.1534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2003 -12.6541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0650 -13.1534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9298 -12.6541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7947 -13.1534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6594 -12.6541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5242 -13.1534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3891 -12.6541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2538 -13.1534 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5521 -11.6555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0113 -11.6555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3354 -14.1520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7947 -14.1520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3891 -11.6555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1969 -11.0684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8884 -10.1189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8898 -10.1189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5811 -11.0684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6829 -12.3615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.0618 -10.5691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.0618 -11.5677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8225 -13.6527 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 1 6 1 0 0 0 0 6 8 1 6 0 0 0 4 9 1 1 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 27 28 1 0 0 0 0 28 29 2 0 0 0 0 5 10 1 1 0 0 0 12 30 1 0 0 0 0 16 31 1 0 0 0 0 21 32 1 0 0 0 0 25 33 1 0 0 0 0 34 28 1 6 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 34 35 1 0 0 0 0 34 38 1 0 0 0 0 34 39 1 1 0 0 0 35 40 1 1 0 0 0 35 41 1 6 0 0 0 5 42 1 6 0 0 0 4 42 1 6 0 0 0 6 7 1 1 0 0 0 M END > LMPR01071001 > (5R,6S,5'R)-Sapotexanthin 5,6-epoxide > (5R,6S,5'R)-5,6-Epoxy-5,6-dihydro-beta,kappa-carotene-6'-one > C40H56O2 > 568.43 > Prenol Lipids [PR] > Isoprenoids [PR01] > C40 isoprenoids (tetraterpenes) [PR0107] > - > > YYTSETXZSCJYBQ-HSJOFTLASA-N > InChI=1S/C40H56O2/c1-31(19-13-21-33(3)23-24-35(41)38(9)28-15-26-36(38,5)6)17-11-12-18-32(2)20-14-22-34(4)25-30-40-37(7,8)27-16-29-39(40,10)42-40/h11-14,17-25,30H,15-16,26-29H2,1-10H3/b12-11+,19-13+,20-14+,24-23+,30-25+,31-17+,32-18+,33-21+,34-22+/t38-,39+,40-/m0/s1 > C1[C@](C)(C)[C@@]2(O[C@]2(C)CC1)/C=C/C(/C)=C/C=C/C(/C)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C([C@]1(C)CCC[C@@]1(C)C)=O > - > - > - > - > - > - > 171118724 > - > - > - > - > - > 233744 > 32126590 $$$$